2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile

C15H16N2O2S — CID 72704212

IUPAC2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile
SMILESCOc1ccc(OC)c(CCc2cc(C#N)c(N)s2)c1
InChIInChI=1S/C15H16N2O2S/c1-18-12-4-6-14(19-2)10(7-12)3-5-13-8-11(9-16)15(17)20-13/h4,6-8H,3,5,17H2,1-2H3
InChIKeyIFAWINQFZPBDHK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.00
Rot. Bonds5

About 2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile

2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile (PubChem CID 72704212) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile
PubChem CID72704212
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile
SMILESCOc1ccc(OC)c(CCc2cc(C#N)c(N)s2)c1
InChIInChI=1S/C15H16N2O2S/c1-18-12-4-6-14(19-2)10(7-12)3-5-13-8-11(9-16)15(17)20-13/h4,6-8H,3,5,17H2,1-2H3
InChIKeyIFAWINQFZPBDHK-UHFFFAOYSA-N
XLogP3.00
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]-4-methylthiophene-3-carbonitrile
CID 14964743
2-(aminomethyl)-4-methoxybenzonitrile
CID 22464511
2-(2,5-dimethoxyphenyl)ethyl-methylcyanamide
CID 117043452
2-amino-5-butylthiophene-3-carbonitrile
CID 43367138
1-cyano-2-[2-(2,5-dimethoxyphenyl)ethyl]guanidine
CID 142011662
4-acetyl-2-[2-(2,5-dimethoxyphenyl)ethylamino]benzonitrile
CID 133456502
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129677
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
2-amino-5-(aminomethyl)thiophene-3-carbonitrile
CID 130018773
2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
CID 60905751
2-ethynyl-5-methoxybenzonitrile
CID 166529929
2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile (CID 72704212) is 2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile is COc1ccc(OC)c(CCc2cc(C#N)c(N)s2)c1.
What is the InChIKey of 2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile?
The InChIKey is IFAWINQFZPBDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-18-12-4-6-14(19-2)10(7-12)3-5-13-8-11(9-16)15(17)20-13/h4,6-8H,3,5,17H2,1-2H3.
What are the key properties of 2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile?
2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile has a molecular weight of 288.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile is sourced from PubChem (CID 72704212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).